4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide

C14H14N4O — CID 63377285

IUPAC4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CCC#N)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-18(8-4-7-15)14(19)13-9-11(16)10-5-2-3-6-12(10)17-13/h2-3,5-6,9H,4,8H2,1H3,(H2,16,17)
InChIKeyZFBYHBKBZOKHAX-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.80
Rot. Bonds3

About 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide

4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide (PubChem CID 63377285) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
PubChem CID63377285
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CCC#N)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H14N4O/c1-18(8-4-7-15)14(19)13-9-11(16)10-5-2-3-6-12(10)17-13/h2-3,5-6,9H,4,8H2,1H3,(H2,16,17)
InChIKeyZFBYHBKBZOKHAX-UHFFFAOYSA-N
XLogP1.80
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
CID 115349399
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
CID 79385801
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 115485636
4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
CID 103102039
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
1-(4-aminoquinolin-2-yl)but-3-yn-1-one
CID 116603510
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 115987219

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide (CID 63377285) is 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide is CN(CCC#N)C(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide?
The InChIKey is ZFBYHBKBZOKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18(8-4-7-15)14(19)13-9-11(16)10-5-2-3-6-12(10)17-13/h2-3,5-6,9H,4,8H2,1H3,(H2,16,17).
What are the key properties of 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide?
4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 63377285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).